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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 2-(diethylamino)ethyl ester, hydrochloride
RN: 4304-21-6
InChIKey: SLNGWZYXXOJBKC-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C16-H25-N-O5.Cl-H

Molecular Weight

  • 347.836
 
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Names and Synonyms

Synonyms

  • 3,4,5-Trimethoxybenzoic acid 2-(diethylamino)ethyl ester hydrochloride
  • McN-67-A-11
  • NSC 28516

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, 2-(diethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 4304-21-6

System Generated Number

  • 0004304216

Molecular Formulas

Molecular Formula

  • C16-H25-N-O5.Cl-H

Molecular Formula Fragments

  • C16-H25-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25NO5.ClH/c1-6-17(7-2)8-9-22-16(18)12-10-13(19-3)15(21-5)14(11-12)20-4;/h10-11H,6-9H2,1-5H3;1H

InChIKey

SLNGWZYXXOJBKC-UHFFFAOYSA-N

Smiles

c1(c(cc(C(OCC[NH+](CC)CC)=O)cc1OC)OC)OC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 303mg/kg (303mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 137, Pg. 410, 1962.